(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(1S)-1-cyclopropylethyl]amino]pyridin-3-yl]methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(1S)-1-cyclopropylethyl]amino]pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(1S)-1-cyclopropylethyl]amino]-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(1S)-1-cyclopropylethyl]amino]-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(1S)-1-cyclopropylethyl]amino]pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(1S)-1-cyclopropylethyl]amino]-3-pyridyl]methanone Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC2=NC=C(C=C2)C(=O)N3CCC[NH+](CC3)C4CCCCC4

Isomeric SMILES

C[C@@H](C1CC1)NC2=NC=C(C=C2)C(=O)N3CCC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C22H34N4O/c1-17(18-8-9-18)24-21-11-10-19(16-23-21)22(27)26-13-5-12-25(14-15-26)20-6-3-2-4-7-20/h10-11,16-18,20H,2-9,12-15H2,1H3,(H,23,24)/p+1/t17-/m0/s1